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Oct . 19, 2024 22:37 Back to list

isopropyl acetoacetate cas 542-08-5



Understanding Isopropyl Acetoacetate (CAS 542-08-5)


Isopropyl acetoacetate, a chemical compound with the CAS number 542-08-5, plays an essential role in the field of organic chemistry. It belongs to the family of acetoacetates, which are important intermediates in various synthetic processes. This compound exhibits interesting properties and characteristics, making it valuable in pharmaceutical, agrochemical, and other chemical industries.


Chemical Structure and Properties


Isopropyl acetoacetate is an ester formed from the reaction between acetoacetic acid and isopropanol. It has the molecular formula C₇H₁₄O₃ and a molecular weight of approximately 142.18 g/mol. Structurally, it features a ketone functional group, which is characteristic of acetoacetates, along with an alkyl chain from isopropanol.


The physical properties of isopropyl acetoacetate contribute to its utility. It typically appears as a colorless to pale yellow liquid with a pleasant fruity odor. The compound is moderately soluble in water and exhibits a higher solubility in organic solvents, making it amenable to various chemical reactions and extractions.


Synthesis and Reaction Mechanisms


Isopropyl acetoacetate can be synthesized through acylation reactions, where isopropanol reacts with acetoacetic acid in the presence of an acid catalyst. This reaction showcases the efficiency of ester formation in organic synthesis. The compound can also be produced via transesterification processes involving other acetoacetates and isopropanol.


One of the notable features of isopropyl acetoacetate is its ability to participate in diverse reactions, such as Claisen condensation, Michael additions, and cyclization reactions. These reactions expand its utility in synthesizing complex organic molecules, making it a valuable building block for chemists.


isopropyl acetoacetate cas 542-08-5

isopropyl acetoacetate cas 542-08-5

Applications in Industry


Isopropyl acetoacetate holds numerous applications across different sectors. In pharmaceuticals, it is often used as an intermediate in the synthesis of various drugs and therapeutic agents. The compound acts as a key precursor in producing anti-inflammatory and analgesic medicines, showcasing its importance in healthcare.


In the agrochemical sector, isopropyl acetoacetate is employed in the synthesis of herbicides and pesticides. The versatility of the compound allows chemists to design new agents that improve crop yields and address agricultural challenges, thus playing a vital role in modern agriculture.


Additionally, the compound finds application in the flavor and fragrance industry due to its pleasant aroma. It can be utilized in creating food additives and perfumes, enhancing the sensory experience of consumers.


Safety and Handling


While isopropyl acetoacetate is a valuable compound, appropriate safety measures should be taken when handling it. The compound is considered mildly hazardous, and exposure can lead to respiratory irritation if inhaled or skin irritation upon contact. It is advisable to work in well-ventilated areas and use personal protective equipment, including gloves and goggles, to minimize risks.


Conclusion


Isopropyl acetoacetate (CAS 542-08-5) is a noteworthy compound in the realm of organic chemistry, offering versatile applications across pharmaceuticals, agrochemicals, and food industries. Its unique chemical properties and ability to participate in various reactions make it an essential building block for many synthetic processes. As research continues to evolve, it is likely that new applications for isopropyl acetoacetate will emerge, further solidifying its place in modern chemical science. Understanding the synthesis, properties, and safety measures associated with this compound is essential for scientists and industry professionals working with this valuable chemical.


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